SCHEMBL13624982

SCHEMBL13624982

O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1P

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.80
CYP2D6 P10635 2/20 0.80
LMNA P02545 2/20 0.80
CYP2C9 P11712 2/20 0.80
CYP3A4 P08684 1/20 0.80
TSHR P16473 1/20 0.80
CYP2C19 P33261 1/20 0.80
CACNA1F O60840 1/20 0.80
KCNA5 P22460 1/20 0.80
SLC6A2 P23975 1/20 0.80
ADRA1A P35348 1/20 0.80
OPRK1 P41145 1/20 0.80
CACNA1D Q01668 1/20 0.80
KCNH2 Q12809 1/20 0.80
CACNA1S Q13698 1/20 0.80
CACNA1C Q13936 1/20 0.80
SCN5A Q14524 1/20 0.80
SMN1; SMN2 Q16637 2/20 0.75
PMP22 Q01453 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Flecainide SCHEMBL29385957 0.89 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP2C9CYP3A4
Flecainide SCHEMBL17799127 0.89 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP2C9CYP3A4
(R)-Flecainide SCHEMBL14971 0.89 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP2C9CYP3A4
Flecainide SCHEMBL14970 0.89 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP2C9CYP3A4
Flecainide SCHEMBL5569654 0.88 CYP1A2 (0.98) CYP1A2CYP2D6LMNACYP2C9CYP3A4
Flecainide SCHEMBL5569649 0.88 CYP1A2 (0.98) CYP1A2CYP2D6LMNACYP2C9CYP3A4
SCHEMBL20921172 0.85 CYP1A2 (0.89) CYP1A2CYP2D6LMNACYP2C9CYP3A4
SCHEMBL19822359 0.85 CYP1A2 (0.89) CYP1A2CYP2D6LMNACYP2C9CYP3A4
Flecainide SCHEMBL308966 0.85 SMN1; SMN2 (1.00) CYP1A2CYP2D6LMNACYP2C9CYP3A4
Flecainide SCHEMBL9614368 0.85 SMN1; SMN2 (1.00) CYP1A2CYP2D6LMNACYP2C9CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
WO-2009137853-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANEE MATERIAL Universität Wien (AT) 2009-11-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CYP1A2 2003/4885CYP2D6 1914/4885LMNA 2417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.